SCHEMBL29039288

SCHEMBL29039288

CCCC(C)CCCCC(C)C(=O)O

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACE2 Q9BYF1 1/20 0.74
▸ BLM P54132 1/20 0.67
▸ LTA4H P09960 1/20 0.50
▸ CA1 P00915 2/20 0.47
▸ GABRR1 P24046 2/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CHRM1 P11229 1/20 0.44
▸ AKR1A1 P14550 1/20 0.44
▸ CHRM3 P20309 1/20 0.44
▸ HTR2A P28223 1/20 0.44
▸ HTR2C P28335 1/20 0.44
▸ ADRA1A P35348 1/20 0.44
▸ HRH1 P35367 1/20 0.44
▸ DRD3 P35462 1/20 0.44
▸ SLC6A3 Q01959 1/20 0.44
▸ HDAC1 Q13547 1/20 0.44
▸ HDAC2 Q92769 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ GPR84 Q9NQS5 3/20 0.42
▸ FFAR1 O14842 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5879091 0.98 ACE2 (0.78) ACE2BLMLTA4HCA1GABRR1
SCHEMBL5878844 0.98 ACE2 (0.78) ACE2BLMLTA4HCA1GABRR1
SCHEMBL5879049 0.98 ACE2 (0.78) ACE2BLMLTA4HCA1GABRR1
SCHEMBL8939040 0.96 BLM (0.73) ACE2BLMLTA4HCA1GABRR1
SCHEMBL31632559 0.96 BLM (0.73) ACE2BLMLTA4HCA1GABRR1
SCHEMBL18251813 0.91 ACE2 (0.81) ACE2BLMLTA4HCA1GABRR1
SCHEMBL5879047 0.89 ACE2 (0.92) ACE2BLMLTA4HCA1GPR84
SCHEMBL5878943 0.89 ACE2 (0.92) ACE2BLMLTA4HCA1GPR84
SCHEMBL18251819 0.89 ACE2 (0.92) ACE2BLMLTA4HCA1GPR84
SCHEMBL5879079 0.89 ACE2 (0.92) ACE2BLMLTA4HCA1GPR84

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112004847-B Radiation curable inkjet ink composition, printed article, and thermal inkjet method using the same 花王株式会社 2023-05-09 — — CN disclosed
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